5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine

C20H19O2PSi — CID 14274434

IUPAC5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine
SMILESC[Si]1(C)c2ccccc2OP(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C20H19O2PSi/c1-24(2)19-14-8-6-12-17(19)21-23(16-10-4-3-5-11-16)22-18-13-7-9-15-20(18)24/h3-15H,1-2H3
InChIKeyDDZKHTCBXLORMY-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.92
Rot. Bonds1

About 5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine

5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine (PubChem CID 14274434) has the molecular formula C20H19O2PSi and a molecular weight of 350.43 g/mol. Its IUPAC name is 5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine.

Molecular Properties

Compound Name5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine
PubChem CID14274434
Molecular FormulaC20H19O2PSi
Molecular Weight350.43 g/mol
Exact Mass350.09
IUPAC Name5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine
SMILESC[Si]1(C)c2ccccc2OP(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C20H19O2PSi/c1-24(2)19-14-8-6-12-17(19)21-23(16-10-4-3-5-11-16)22-18-13-7-9-15-20(18)24/h3-15H,1-2H3
InChIKeyDDZKHTCBXLORMY-UHFFFAOYSA-N
XLogP3.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine?
The IUPAC name of 5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine (CID 14274434) is 5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine.
What is the SMILES notation for 5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine?
The canonical SMILES for 5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine is C[Si]1(C)c2ccccc2OP(c2ccccc2)Oc2ccccc21.
What is the InChIKey of 5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine?
The InChIKey is DDZKHTCBXLORMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19O2PSi/c1-24(2)19-14-8-6-12-17(19)21-23(16-10-4-3-5-11-16)22-18-13-7-9-15-20(18)24/h3-15H,1-2H3.
What are the key properties of 5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine?
5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine has a molecular weight of 350.43 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-11-phenylbenzo[d][1,3,2,6]benzodioxaphosphasilocine is sourced from PubChem (CID 14274434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).